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CHEBI:155541 - CID 91853999

ChEBI IDCHEBI:155541
ChEBI NameCID 91853999
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC109H178N8O80
Net Charge0
Average Mass2880.599
Monoisotopic Mass2879.01062
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,14,13/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-6-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_h4-l1_i4-j1_j6-k2_l4-m1_m6-n2
InChIInChI=1S/C109H178N8O80/c1-26(129)110-51-34(137)9-107(104(165)166,194-86(51)59(143)37(140)12-118)172-24-49-63(147)72(156)75(159)98(183-49)187-81-43(18-124)178-95(56(68(81)152)115-31(6)134)186-85-47(22-128)181-102(92(77(85)161)193-97-58(117-33(8)136)70(154)82(44(19-125)180-97)188-99-76(160)73(157)64(148)50(184-99)25-173-108(105(167)168)10-35(138)52(111-27(2)130)87(195-108)60(144)38(141)13-119)171-23-48-66(150)89(78(162)100(182-48)189-83-45(20-126)177-94(55(69(83)153)114-30(5)133)185-80-42(17-123)174-93(164)54(67(80)151)113-29(4)132)191-103-91(74(158)62(146)40(15-121)176-103)192-96-57(116-32(7)135)71(155)84(46(21-127)179-96)190-101-79(163)90(65(149)41(16-122)175-101)197-109(106(169)170)11-36(139)53(112-28(3)131)88(196-109)61(145)39(142)14-120/h34-103,118-128,137-164H,9-25H2,1-8H3,(H,110,129)(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,165,166)(H,167,168)(H,169,170)/t34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66+,67+,68+,69+,70+,71+,72-,73-,74-,75+,76+,77-,78-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89-,90-,91-,92-,93?,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,107+,108+,109-/m0/s1
InChIKeyDFKYIMLYJHSEGB-BAUYNRGDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91853999 (CHEBI:155541) is a polysaccharide (CHEBI:18154)
Synonyms  Source
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G98790NRGlyTouCan
G98790NRGlyGen